Information card for entry 7024045

Structure parameters

• Formula: C27 H18 N4 Pd
• Calculated formula: C27 H18 N4 Pd
• SMILES: c1cccc2c3ccccc3[Pd]3([n]12)[n]1cccc1=C(c1cccn31)c1ccc(cc1)C#N
• Title of publication: Dipyrrin based luminescent cyclometallated palladium and platinum complexes.
• Authors of publication: Bronner, Catherine; Baudron, Stéphane A; Hosseini, Mir Wais; Strassert, Cristian A.; Guenet, Aurélie; De Cola, Luisa
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 180 - 184
• a: 15.0039 ± 0.0003 Å
• b: 7.4811 ± 0.0001 Å
• c: 18.2111 ± 0.0003 Å
• α: 90°
• β: 95.343 ± 0.001°
• γ: 90°
• Cell volume: 2035.24 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No